Mol:FL1CDANS0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/
22 23 0 0 0 0 0 0 0 0999 V2000
-2.2321 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2321 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1195 0.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6758 0.9248 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0069 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5492 -0.3598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 -0.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 -0.0387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2273 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6663 0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1053 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5632 -0.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.7882 0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.7882 0.9329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1122 -0.5204 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.3977 -0.9329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5634 0.9247 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1511 0.5122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0 0 0 0
2 3 2 0 0 0 0
3 4 1 0 0 0 0
4 5 2 0 0 0 0
5 6 1 0 0 0 0
6 1 2 0 0 0 0
4 7 1 0 0 0 0
7 8 1 0 0 0 0
8 9 2 0 0 0 0
9 10 1 0 0 0 0
10 11 2 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
13 14 1 0 0 0 0
14 15 2 0 0 0 0
15 10 1 0 0 0 0
7 16 2 0 0 0 0
1 17 1 0 0 0 0
13 18 1 0 0 0 0
3 19 1 0 0 0 0
19 20 1 0 0 0 0
5 21 1 0 0 0 0
21 22 1 0 0 0 0
M STY 1 1 SUP
M SLB 1 1 1
M SAL 1 2 19 20
M SBL 1 1 20
M SMT 1 OCH3
M SBV 1 20 -5.4075 2.4231
M STY 1 2 SUP
M SLB 1 2 2
M SAL 2 2 21 22
M SBL 2 1 22
M SMT 2 OCH3
M SBV 2 22 -4.4150 2.9047
S SKP 8
ID FL1CDANS0001
KNApSAcK_ID C00006956
NAME 4,4'-Dihydroxy-2',6'-dimethoxychalcone
CAS_RN 123316-64-3
FORMULA C17H16O5
EXACTMASS 300.099773622
AVERAGEMASS 300.30593999999996
SMILES COc(c1)c(C(=O)C=Cc(c2)ccc(O)c2)c(OC)cc(O)1
M END
